Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions
| Autor: | Linda Li, Mercouri G. Kanatzidis, Jacky Even, Mikael Kepenekian, Peijun Guo, Constantinos C. Stoumpos, Claudine Katan, Boubacar Traoré, Xiaotong Li |
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| Přispěvatelé: | Northwestern University [Evanston], Institut des Fonctions Optiques pour les Technologies de l'informatiON (Institut FOTON), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-École Nationale Supérieure des Sciences Appliquées et de Technologie (ENSSAT)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Chimiques de Rennes (ISCR), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Yale University [New Haven], University of Crete [Heraklion] (UOC), For DFT calculations, the work was granted access to the HPC resources of TGCC/CINES/IDRIS under the allocation 2019-A0080911434, 2020-A0080911434 and 2020-A0090907682 made by GENCI. M. K. acknowledges support from Region Bretagne through Boost'ERC LaHPerOS project. J.E acknowledges the financial support from the Institut Universitaire de France., Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-École Nationale Supérieure des Sciences Appliquées et de Technologie (ENSSAT)-Centre National de la Recherche Scientifique (CNRS)-IMT Atlantique Bretagne-Pays de la Loire (IMT Atlantique), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA) |
| Rok vydání: | 2021 |
| Předmět: |
2D iodide double perovskite
Materials science optical property General Chemical Engineering Iodide Halide chemistry.chemical_element 02 engineering and technology 010402 general chemistry 01 natural sciences Bismuth chemistry.chemical_compound symbols.namesake Materials Chemistry electronic dimension Electronic band structure Perovskite (structure) chemistry.chemical_classification 1D Bi perovskite [CHIM.MATE]Chemical Sciences/Material chemistry General Chemistry 021001 nanoscience & nanotechnology 0104 chemical sciences [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry Crystallography chemistry Octahedron symbols Pyridinium 0210 nano-technology Raman spectroscopy |
| Zdroj: | Chemistry of Materials Chemistry of Materials, 2021, 33 (15), pp.6206-6216. ⟨10.1021/acs.chemmater.1c01952⟩ Chemistry of Materials, American Chemical Society, In press, 33 (15), pp.6206-6216. ⟨10.1021/acs.chemmater.1c01952⟩ |
| ISSN: | 1520-5002 0897-4756 |
| DOI: | 10.1021/acs.chemmater.1c01952 |
| Popis: | International audience; New structures with favorable band structure and optical properties are of broad interest to the halide perovskite community. Recently, lead-free two-dimensional (2D) double perovskites have emerged as dimensionally reduced counterparts of their 3D analogues. Besides the structural diversity provided by the organic cation, the achievement of 2D lead-free iodide double perovskites has attached researchers to explore more structures in this new material family. Here, we report the synthesis and structures of a series of 2D iodide double perovskites based on cyclic diammonium cations (aminomethyl)piperidinium (AMP) and (aminomethyl)pyridinium (AMPY), (4AMP)2AgBiI8 and (3AMPY)2AgBiI8, and compare them with 1D structures with Bi only (x-AMP)BiI5 and (x-AMPY)BiI5 (x = 3 and 4). The crystallographic structures of the double perovskite phases are highly distorted, because of the inability of Ag to form regular octahedral coordination with iodine. The experimental bandgaps of the double perovskite phases are surprisingly similar ((4AMP)2AgBiI8) or even larger ((3AMPY)2AgBiI8) than in the 1D structures with the same cations ((4AMP)BiI5 and (3AMPY)BiI5). DFT calculations suggest that the effective electronic dimensionality of the double perovskites is on par or lower than that of 1D structures. The reduced electronic dimension of the 2D compounds originates from the weak electronic coupling between the corner-sharing Ag and Bi octahedra. The band structures for the 1D compounds are dispersive in the chain direction, suggesting that their electronic and structural dimensions are similar. Low frequency Raman spectra exhibit distinct peaks at room temperature for all compounds reported here, suggesting rigid lattices |
| Databáze: | OpenAIRE |
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